[5-(butylcarbamoyl)furan-2-yl]methyl-[(4-methylphenyl)methyl]-(phenylmethyl)azanium

Systemtic Name: [5-(butylcarbamoyl)furan-2-yl]methyl-[(4-methylphenyl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(butylcarbamoyl)-2-furyl]methyl]-(p-tolylmethyl)ammonium CAS Name: [5-[butylamino(oxo)methyl]-2-furanyl]methyl-[(4-methylphenyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(butylcarbamoyl)furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium Traditional Name: benzyl-[[5-(butylcarbamoyl)-2-furyl]methyl]-(4-methylbenzyl)ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C25H30N2O2/c1-3-4-16-26-25(28)24-15-14-23(29-24)19-27(17-21-8-6-5-7-9-21)18-22-12-10-20(2)11-13-22/h5-15H,3-4,16-19H2,1-2H3,(H,26,28)/p+1